Isopropanol → Benzyl 4-((2-hydroxy-3-((oxoboryl)methyleneamino)-4-phenylbutylamino)methyl)piperidine-1-carboxylate

반응식

[CH:34]([OH:35])([CH3:36])[CH3:37].[NH2:16][CH2:17][CH:18]1[CH2:19][CH2:20][N:21]([C:24](=[O:25])[O:26][CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[CH2:22][CH2:23]1.[O:1]1[CH:2]([CH:4]([CH2:5][c:6]2[cH:7][cH:8][cH:9][cH:10][cH:11]2)[N:12]=[CH:13][B:14]=[O:15])[CH2:3]1>>[OH:1][CH:2]([CH2:3][NH:16][CH2:17][CH:18]1[CH2:19][CH2:20][N:21]([C:24](=[O:25])[O:26][CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[CH2:22][CH2:23]1)[CH:4]([CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[N:12]=[CH:13][B:14]=[O:15]

참가 물질

반응물 3

HCID 3776Isopropanol

HCID 219554994-Aminomethyl-1-N-Cbz-piperidine

HCID 866126001-(oxiran-2-yl)-N-((oxoboryl)methylene)-2-phenylethanamine

생성물 1

HCID 68957831Benzyl 4-((2-hydroxy-3-((oxoboryl)methyleneamino)-4-phenylbutylamino)methyl)piperidine-1-carboxylate

출처 및 근거

ORD 기록: ord-02d8780180fb428d8a29885d039f56cc
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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